Ammonia → HCID 178427063, compound

HRID 2319121Notes

Reaction equation

HRID 2319121 reaction equation
[B-:18]([F:19])([F:20])([F:21])[F:22].[CH2:69]([OH:70])[CH3:71].[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:49][c:50]1[cH:51][c:52]2[c:53]([nH:54][c:55]([CH:57]([CH2:58][CH2:59][c:60]3[n:61][n:62][n:63][nH:64]3)[NH2:65])[n:56]2)[cH:66][cH:67]1.[Cl:72][CH2:73][Cl:74].[Cl:75].[NH3:68].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:65][CH:57]([c:55]2[nH:54][c:53]3[c:52]([cH:51][c:50]([Cl:49])[cH:67][cH:66]3)[n:56]2)[CH2:58][CH2:59][c:60]2[n:61][n:62][n:63][nH:64]2)[cH:8][cH:9][c:10]1[C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1

Participants

11

Reactant 10

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 120686863-Methyl 4-(pyrrolidin-1-ylcarbonyl)benzoic acidHCID 178510952HCID 178510952, compound

Product 1

HCID 178427063HCID 178427063, compound

Sources & evidence

ORD record
ord-86dca914ae484a8cbc3ed47565dd0bce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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