Toluene → HCID 86615545, compound

HRID 2152504Notes

Reaction equation

HRID 2152504 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:13][c:14]2[c:15]([NH:23][c:24]3[c:25]4[c:26]([n:27][cH:28][n:29]3)[n:30][c:31]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:33]4)[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]2)[cH:37][cH:38]1.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[S:46]([Cl:47])([Cl:48])=[O:49]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:13][c:14]2[c:15]([NH:23][c:24]3[c:25]4[c:26]([n:27][cH:28][n:29]3)[n:30][c:31]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:33]4)[cH:16][c:17]([C:18](=[O:19])[Cl:48])[cH:21][cH:22]2)[cH:37][cH:38]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 24386Thionyl ChlorideHCID 67041002HCID 67041002, compound

Product 1

HCID 86615545HCID 86615545, compound

Sources & evidence

ORD record
ord-5204611475974fee96a4ec4c25013428
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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