Toluene → HCID 57721390, compound

HRID 2336685Notes

Reaction equation

HRID 2336685 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([N:11]=[C:12]([CH3:13])[c:14]2[n:15][c:16]([C:20]([CH3:21])=[O:22])[cH:17][cH:18][cH:19]2)[cH:7][cH:8][cH:9][cH:10]1.[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[O:43][c:44]1[c:45](-[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:46][c:47]([NH2:48])[cH:49][c:50]1-[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([N:11]=[C:12]([CH3:13])[c:14]2[n:15][c:16]([C:20]([CH3:21])=[N:48][c:47]3[cH:46][c:45](-[c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[c:44]([O:43][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[c:50](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:49]3)[cH:17][cH:18][cH:19]2)[cH:7][cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 22134479HCID 22134479, compoundHCID 22171929326613-30-3

Product 1

HCID 57721390HCID 57721390, compound

Sources & evidence

ORD record
ord-cde068ec805d440ba8edfa029acce3f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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