Water → HCID 178454680, compound

HRID 188609Notes

Reaction equation

HRID 188609 reaction equation
[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][C:60]#[N:61].[Cl:63][CH2:64][Cl:65].[OH2:62].[s:1]1[c:2]([S:10][S:11][CH:12]2[CH:13]([NH:41][C:42]([CH2:43][O:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)=[O:51])[C:14](=[O:40])[N:15]2[C:16]([C:17](=[O:18])[O:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[C:33]([CH3:34])[O:35][S:36]([F:37])(=[O:38])=[O:39])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([S:10][S:11][CH:12]2[CH:13]([NH:41][C:42]([CH2:43][O:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)=[O:51])[C:14](=[O:40])[N:15]2[C:16]([C:17](=[O:18])[O:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[C:33]=[CH2:34])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8471TriethylamineHCID 178477239HCID 178477239, compound

Product 1

HCID 178454680HCID 178454680, compound

Sources & evidence

ORD record
ord-340e5ca73e114919bb4e67b736e75729
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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