Water → HCID 178467379, compound

HRID 702706

Reaction equation

HRID 702706 reaction equation
[C:6]([O:7][CH2:8][CH2:9][CH2:10][CH:11]([CH:12]([CH3:13])[O:14][N+:15](=[O:16])[O-:17])[O:18][N+:19](=[O:20])[O-:21])([O:22][CH:23]([CH3:24])[Cl:25])=[O:26].[C:79](=[O:80])([O-:81])[O-:82].[CH2:27]([CH3:28])[O:29][c:30]1[n:31][c:32]2[c:33]([n:34]1[CH2:35][c:36]1[cH:37][cH:38][c:39](-[c:42]3[c:43](-[c:48]4[n:49][n:50][n:51][n:52]4[C:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)([c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]1)[c:72]([C:76](=[O:77])[OH:78])[cH:73][cH:74][cH:75]2.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[Cs+:83].[Cs+:84].[OH2:85]>>[C:6]([O:7][CH2:8][CH2:9][CH2:10][CH:11]([CH:12]([CH3:13])[O:14][N+:15](=[O:16])[O-:17])[O:18][N+:19](=[O:20])[O-:21])([O:22][CH:23]([CH3:24])[O:78][C:76]([c:72]1[c:33]2[c:32]([n:31][c:30]([O:29][CH2:27][CH3:28])[n:34]2[CH2:35][c:36]2[cH:37][cH:38][c:39](-[c:42]3[c:43](-[c:48]4[n:49][n:50][n:51][n:52]4[C:53]([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)([c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[c:66]4[cH:67][cH:68][cH:69][cH:70][cH:71]4)[cH:44][cH:45][cH:46][cH:47]3)[cH:40][cH:41]2)[cH:75][cH:74][cH:73]1)=[O:77])=[O:26]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 103125632-Ethoxy-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-benzimidazole-7-carboxylic acidHCID 874749761-Chloroethyl 4,5-dinitrooxyhexyl carbonate

Product 1

HCID 178467379HCID 178467379, compound

Sources & evidence

ORD record
ord-a839975b44a44f69ae7e9b64c89d0970
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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