Water → HCID 178470973, compound

HRID 695739Notes

Reaction equation

HRID 695739 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12](=[NH:13])[c:14]1[cH:15][cH:16][c:17]2[c:18]([cH:19][c:20]([C:22](=[O:23])[OH:24])[o:21]2)[cH:25]1.[CH3:86][N:87]1[CH2:88][CH2:89][O:90][CH2:91][CH2:92]1.[CH3:93][N:94]([CH3:95])[CH:96]=[O:97].[NH2:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[NH:40][C:41]([CH2:42][CH2:43][c:44]2[cH:45][cH:46][c:47]([O:50][CH3:51])[cH:48][cH:49]2)=[O:52])[cH:31][cH:32]1.[OH2:98].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][P+:62]([N:63]2[CH2:64][CH2:65][CH2:66][CH2:67]2)([N:68]2[CH2:69][CH2:70][CH2:71][CH2:72]2)[N:73]2[CH2:74][CH2:75][CH2:76][CH2:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12](=[NH:13])[c:14]1[cH:15][cH:16][c:17]2[c:18]([cH:19][c:20]([C:22](=[O:23])[NH:26][c:27]3[cH:28][cH:29][c:30]([CH2:33][CH:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[NH:40][C:41]([CH2:42][CH2:43][c:44]4[cH:45][cH:46][c:47]([O:50][CH3:51])[cH:48][cH:49]4)=[O:52])[cH:31][cH:32]3)[o:21]2)[cH:25]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 57119206Ethyl 3-(4-aminophenyl)-2-[3-(4-methoxyphenyl)propanoylamino]propanoateHCID 1403812485-(N-phenylmethoxycarbonylcarbamimidoyl)-1-benzofuran-2-carboxylic acid

Product 1

HCID 178470973HCID 178470973, compound

Sources & evidence

ORD record
ord-1587ce5ab2654236b7b4f7a5e120f1ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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