Benzene → HCID 178513456, compound

HRID 211665Notes

Reaction equation

HRID 211665 reaction equation
[CH3:12][Al:13]([CH3:14])[CH3:15].[CH3:39][OH:40].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]([N:23]2[C:24]([c:30]3[c:31]([Cl:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]3)=[N:25][CH:26]([C:28]#[N:29])[CH2:27]2)[cH:21][cH:22]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:6][cH:7]1.[OH2:38].[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][C:28]([CH:26]2[N:25]=[C:24]([c:30]3[c:31]([Cl:37])[cH:32][c:33]([Cl:36])[cH:34][cH:35]3)[N:23]([c:20]3[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]3)[CH2:27]2)=[NH:29])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 887MethanolHCID 962WaterHCID 1140TolueneHCID 668244-ChlorobenzenesulfonamideHCID 16682925TrimethylaluminumHCID 21082125HCID 21082125, compound

Product 1

HCID 178513456HCID 178513456, compound

Sources & evidence

ORD record
ord-f6fde38d44134a048722113f0e05799f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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